4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine

C14H13N5O — CID 80916183

IUPAC4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine
SMILESNNc1cc(Oc2cccc3ccccc23)nc(N)n1
InChIInChI=1S/C14H13N5O/c15-14-17-12(19-16)8-13(18-14)20-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,16H2,(H3,15,17,18,19)
InChIKeyLDOLHQHGHRSDKA-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.29
Rot. Bonds3

About 4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine

4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine (PubChem CID 80916183) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine
PubChem CID80916183
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine
SMILESNNc1cc(Oc2cccc3ccccc23)nc(N)n1
InChIInChI=1S/C14H13N5O/c15-14-17-12(19-16)8-13(18-14)20-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,16H2,(H3,15,17,18,19)
InChIKeyLDOLHQHGHRSDKA-UHFFFAOYSA-N
XLogP2.29
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine
CID 80909311
4-hydrazinyl-6-(2-methylquinolin-8-yl)oxypyrimidin-2-amine
CID 80912967
2,6-dinaphthalen-1-yloxypyridin-4-amine
CID 59962167
4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80915072
2-chloro-6-naphthalen-1-yloxypyridin-4-amine
CID 56990425
4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80930868
4-(5-chloro-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80921660
4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 107287670
2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine
CID 80938850
2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-amine
CID 80869548
6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80867130
4-hydrazinyl-6-(3-phenylpropoxy)pyrimidin-2-amine
CID 80930333

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine?
The IUPAC name of 4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine (CID 80916183) is 4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine is NNc1cc(Oc2cccc3ccccc23)nc(N)n1.
What is the InChIKey of 4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine?
The InChIKey is LDOLHQHGHRSDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c15-14-17-12(19-16)8-13(18-14)20-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,16H2,(H3,15,17,18,19).
What are the key properties of 4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine?
4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine has a molecular weight of 267.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine is sourced from PubChem (CID 80916183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).